6-chlorofuro[2,3-b]quinoline-4-carbonitrile

C12H5ClN2O — CID 86170575

IUPAC6-chlorofuro[2,3-b]quinoline-4-carbonitrile
SMILESN#Cc1c2cc(Cl)ccc2nc2occc12
InChIInChI=1S/C12H5ClN2O/c13-7-1-2-11-9(5-7)10(6-14)8-3-4-16-12(8)15-11/h1-5H
InChIKeyUJLJRFBUEOSHDI-UHFFFAOYSA-N
MW228.64 g/mol
LogP3.51
Rot. Bonds

About 6-chlorofuro[2,3-b]quinoline-4-carbonitrile

6-chlorofuro[2,3-b]quinoline-4-carbonitrile (PubChem CID 86170575) has the molecular formula C12H5ClN2O and a molecular weight of 228.64 g/mol. Its IUPAC name is 6-chlorofuro[2,3-b]quinoline-4-carbonitrile.

Molecular Properties

Compound Name6-chlorofuro[2,3-b]quinoline-4-carbonitrile
PubChem CID86170575
Molecular FormulaC12H5ClN2O
Molecular Weight228.64 g/mol
Exact Mass228.01
IUPAC Name6-chlorofuro[2,3-b]quinoline-4-carbonitrile
SMILESN#Cc1c2cc(Cl)ccc2nc2occc12
InChIInChI=1S/C12H5ClN2O/c13-7-1-2-11-9(5-7)10(6-14)8-3-4-16-12(8)15-11/h1-5H
InChIKeyUJLJRFBUEOSHDI-UHFFFAOYSA-N
XLogP3.51
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chlorofuro[2,3-b]quinoline-4-carbonitrile?
The IUPAC name of 6-chlorofuro[2,3-b]quinoline-4-carbonitrile (CID 86170575) is 6-chlorofuro[2,3-b]quinoline-4-carbonitrile.
What is the SMILES notation for 6-chlorofuro[2,3-b]quinoline-4-carbonitrile?
The canonical SMILES for 6-chlorofuro[2,3-b]quinoline-4-carbonitrile is N#Cc1c2cc(Cl)ccc2nc2occc12.
What is the InChIKey of 6-chlorofuro[2,3-b]quinoline-4-carbonitrile?
The InChIKey is UJLJRFBUEOSHDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClN2O/c13-7-1-2-11-9(5-7)10(6-14)8-3-4-16-12(8)15-11/h1-5H.
What are the key properties of 6-chlorofuro[2,3-b]quinoline-4-carbonitrile?
6-chlorofuro[2,3-b]quinoline-4-carbonitrile has a molecular weight of 228.64 g/mol, XLogP of 3.51, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chlorofuro[2,3-b]quinoline-4-carbonitrile is sourced from PubChem (CID 86170575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).